Molecule ID: mol24934

SMILES: CCN(CC)CCNC(=O)c1cc(OC)nc2ccccc12

InChI: InChI=1S/C17H23N3O2/c1-4-20(5-2)11-10-18-17(21)14-12-16(22-3)19-15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.60 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization